(2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C12H16BrN — CID 18682905

IUPAC(2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1CCc2cccc(Br)c2C1
InChIInChI=1S/C12H16BrN/c1-14(2)10-7-6-9-4-3-5-12(13)11(9)8-10/h3-5,10H,6-8H2,1-2H3/t10-/m1/s1
InChIKeyLMIKROMBLAHKDQ-SNVBAGLBSA-N
MW254.17 g/mol
LogP2.87
Rot. Bonds1

About (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 18682905) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID18682905
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@@H]1CCc2cccc(Br)c2C1
InChIInChI=1S/C12H16BrN/c1-14(2)10-7-6-9-4-3-5-12(13)11(9)8-10/h3-5,10H,6-8H2,1-2H3/t10-/m1/s1
InChIKeyLMIKROMBLAHKDQ-SNVBAGLBSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 18682905) is (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)[C@@H]1CCc2cccc(Br)c2C1.
What is the InChIKey of (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LMIKROMBLAHKDQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16BrN/c1-14(2)10-7-6-9-4-3-5-12(13)11(9)8-10/h3-5,10H,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 254.17 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 18682905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).